X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 50 mM magnesium chloride, 200 mM sodium chloride, 0.1 M HEPES 7.5, 25% PEG 3350
Unit Cell:
a: 46.600 Å b: 58.520 Å c: 52.710 Å α: 90.000° β: 109.180° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.17 Solvent Content: 43.4
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT FREE R-VALUE 1.11 20.60 105283 2100 99.93 0.1424 0.1603 20.01
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
1.11 44.01 99.9 ? ? 11.7 6.53 ? 105322 ? ? 17.3
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 1.11 1.18 99.9 ? ? 1.0 5.9 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON BESSY BEAMLINE 14.2 0.9184 BESSY 14.2
Software
Software Name Purpose Version
PHENIX refinement 1.21.2_5419
MxCuBE data collection .
XDS data reduction .
XDS data scaling .
PHASER phasing .
PHENIX model building .
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